[2-(1-Biphenyl-4-yl-allyloxy)-phenyl]-pyrrolidin-1-yl-methanone | 857676-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-(1-Biphenyl-4-yl-allyloxy)-phenyl]-pyrrolidin-1-yl-methanone
• 英文别名: [2-[1-(4-phenylphenyl)prop-2-enoxy]phenyl]-pyrrolidin-1-ylmethanone
• CAS: 857676-88-1
• 化学式: C₂₆H₂₅NO₂
• 分子量: 383.49
• InChiKey: MJYPFEUISGHJKY-UHFFFAOYSA-N

物化性质

• 沸点：
  578.3±50.0 °C(Predicted)
• 密度：
  1.142±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [2-(1-Biphenyl-4-yl-allyloxy)-phenyl]-pyrrolidin-1-yl-methanone 以 xylene 为溶剂， 反应 24.0h， 以65%的产率得到
  参考文献：
  名称：

  Discovery of potent and use-dependent sodium channel blockers for treatment of chronic pain

  摘要：

  A new series of voltage-gated sodium channel blockers with potential for treatment of chronic pain is reported. Systematic structure-activity relationship studies, starting with compound 1, led to identification of potent analogs that displayed use-dependent block of sodium channels, were efficacious in pain models in vivo, and most importantly, were devoid of activity against the cardiac potassium channel hERG. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.02.093
• 作为产物：
  描述：

  1-水杨酰吡咯烷 、 1-([1,1'-biphenyl]-4-yl)prop-2-en-1-ol 在 三丁基膦 、 1,1'-azodicarbonyl-dipiperidine 作用下， 以65%的产率得到[2-(1-Biphenyl-4-yl-allyloxy)-phenyl]-pyrrolidin-1-yl-methanone
  参考文献：
  名称：

  Discovery of potent and use-dependent sodium channel blockers for treatment of chronic pain

  摘要：

  A new series of voltage-gated sodium channel blockers with potential for treatment of chronic pain is reported. Systematic structure-activity relationship studies, starting with compound 1, led to identification of potent analogs that displayed use-dependent block of sodium channels, were efficacious in pain models in vivo, and most importantly, were devoid of activity against the cardiac potassium channel hERG. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.02.093